# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CuNiPd2 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 1.966952647e+02 1.966952647e+02 1.30 1.815132985e+02 1.815132985e+02 1.32 1.674698039e+02 1.674698039e+02 1.34 1.544780466e+02 1.544780466e+02 1.36 1.424571531e+02 1.424571531e+02 1.38 1.313298870e+02 1.313298870e+02 1.40 1.210228414e+02 1.210228414e+02 1.42 1.114678226e+02 1.114678226e+02 1.44 1.026033046e+02 1.026033046e+02 1.46 9.437523228e+01 9.437523228e+01 1.48 8.673658359e+01 8.673658359e+01 1.50 7.964572661e+01 7.964572661e+01 1.52 7.306427557e+01 7.306427557e+01 1.54 6.695534313e+01 6.695534313e+01 1.56 6.128277801e+01 6.128277801e+01 1.58 5.601140616e+01 5.601140616e+01 1.60 5.110791957e+01 5.110791957e+01 1.62 4.654937125e+01 4.654937125e+01 1.64 4.233765535e+01 4.233765535e+01 1.66 3.844897570e+01 3.844897570e+01 1.68 3.485968523e+01 3.485968523e+01 1.70 3.154854873e+01 3.154854873e+01 1.72 2.849581855e+01 2.849581855e+01 1.74 2.568277403e+01 2.568277403e+01 1.76 2.309171229e+01 2.309171229e+01 1.78 2.070613895e+01 2.070613895e+01 1.80 1.851086285e+01 1.851086285e+01 1.82 1.649188672e+01 1.649188672e+01 1.84 1.463618038e+01 1.463618038e+01 1.86 1.293145828e+01 1.293145828e+01 1.88 1.136603111e+01 1.136603111e+01 1.90 9.928770772e+00 9.928770772e+00 1.92 8.609200003e+00 8.609200003e+00 1.94 7.397656228e+00 7.397656228e+00 1.96 6.285428402e+00 6.285428402e+00 1.98 5.264783476e+00 5.264783476e+00 2.00 4.328870203e+00 4.328870203e+00 2.02 3.471550351e+00 3.471550351e+00 2.04 2.687223618e+00 2.687223618e+00 2.06 1.970692155e+00 1.970692155e+00 2.08 1.317080185e+00 1.317080185e+00 2.10 7.218014540e-01 7.218014540e-01 2.12 1.805560539e-01 1.805560539e-01 2.14 -3.106636010e-01 -3.106636010e-01 2.16 -7.555727915e-01 -7.555727915e-01 2.18 -1.157606713e+00 -1.157606713e+00 2.20 -1.519942485e+00 -1.519942485e+00 2.22 -1.845524163e+00 -1.845524163e+00 2.24 -2.137085385e+00 -2.137085385e+00 2.26 -2.397169823e+00 -2.397169823e+00 2.28 -2.628154496e+00 -2.628154496e+00 2.30 -2.832280060e+00 -2.832280060e+00 2.32 -3.011684521e+00 -3.011684521e+00 2.34 -3.168428731e+00 -3.168428731e+00 2.36 -3.304502020e+00 -3.304502020e+00 2.38 -3.421806375e+00 -3.421806375e+00 2.40 -3.522130183e+00 -3.522130183e+00 2.42 -3.607127609e+00 -3.607127609e+00 2.44 -3.678314446e+00 -3.678314446e+00 2.46 -3.737075175e+00 -3.737075175e+00 2.48 -3.784679591e+00 -3.784679591e+00 2.50 -3.822291705e+00 -3.822291705e+00 2.52 -3.851507686e+00 -3.851507686e+00 2.54 -3.873400191e+00 -3.873400191e+00 2.56 -3.888378260e+00 -3.888378260e+00 2.58 -3.897007752e+00 -3.897007752e+00 2.60 -3.899448421e+00 -3.899448421e+00 2.62 -3.895580981e+00 -3.895580981e+00 2.64 -3.885375003e+00 -3.885375003e+00 2.66 -3.868889921e+00 -3.868889921e+00 2.68 -3.846308737e+00 -3.846308737e+00 2.70 -3.817962978e+00 -3.817962978e+00 2.72 -3.784243733e+00 -3.784243733e+00 2.74 -3.745597008e+00 -3.745597008e+00 2.76 -3.702502501e+00 -3.702502501e+00 2.78 -3.655433601e+00 -3.655433601e+00 2.80 -3.604841379e+00 -3.604841379e+00 2.82 -3.551146731e+00 -3.551146731e+00 2.84 -3.494741320e+00 -3.494741320e+00 2.86 -3.435995763e+00 -3.435995763e+00 2.88 -3.375270802e+00 -3.375270802e+00 2.90 -3.312926237e+00 -3.312926237e+00 2.92 -3.249323467e+00 -3.249323467e+00 2.94 -3.184820064e+00 -3.184820064e+00 2.96 -3.119757853e+00 -3.119757853e+00 2.98 -3.054448303e+00 -3.054448303e+00 3.00 -2.989159787e+00 -2.989159787e+00 3.02 -2.924110180e+00 -2.924110180e+00 3.04 -2.859466114e+00 -2.859466114e+00 3.06 -2.795347994e+00 -2.795347994e+00 3.08 -2.731838521e+00 -2.731838521e+00 3.10 -2.668992287e+00 -2.668992287e+00 3.12 -2.606844495e+00 -2.606844495e+00 3.14 -2.545417817e+00 -2.545417817e+00 3.16 -2.484727141e+00 -2.484727141e+00 3.18 -2.424782517e+00 -2.424782517e+00 3.20 -2.365590833e+00 -2.365590833e+00 3.22 -2.307156761e+00 -2.307156761e+00 3.24 -2.249483444e+00 -2.249483444e+00 3.26 -2.192573176e+00 -2.192573176e+00 3.28 -2.136428208e+00 -2.136428208e+00 3.30 -2.081051634e+00 -2.081051634e+00 3.32 -2.026448243e+00 -2.026448243e+00 3.34 -1.972625173e+00 -1.972625173e+00 3.36 -1.919592210e+00 -1.919592210e+00 3.38 -1.867361672e+00 -1.867361672e+00 3.40 -1.815947844e+00 -1.815947844e+00 3.42 -1.765366053e+00 -1.765366053e+00 3.44 -1.715631503e+00 -1.715631503e+00 3.46 -1.666758039e+00 -1.666758039e+00 3.48 -1.618756974e+00 -1.618756974e+00 3.50 -1.571636131e+00 -1.571636131e+00 3.52 -1.525399150e+00 -1.525399150e+00 3.54 -1.480045119e+00 -1.480045119e+00 3.56 -1.435568503e+00 -1.435568503e+00 3.58 -1.391959351e+00 -1.391959351e+00 3.60 -1.349203739e+00 -1.349203739e+00 3.62 -1.307284416e+00 -1.307284416e+00 3.64 -1.266181636e+00 -1.266181636e+00 3.66 -1.225874179e+00 -1.225874179e+00 3.68 -1.186340553e+00 -1.186340553e+00 3.70 -1.147560389e+00 -1.147560389e+00 3.72 -1.109515960e+00 -1.109515960e+00 3.74 -1.072193766e+00 -1.072193766e+00 3.76 -1.035585990e+00 -1.035585990e+00 3.78 -9.996916581e-01 -9.996916581e-01 3.80 -9.645172268e-01 -9.645172268e-01 3.82 -9.300764121e-01 -9.300764121e-01 3.84 -8.963891053e-01 -8.963891053e-01 3.86 -8.634793956e-01 -8.634793956e-01 3.88 -8.313728825e-01 -8.313728825e-01 3.90 -8.000936356e-01 -8.000936356e-01 3.92 -7.696612661e-01 -7.696612661e-01 3.94 -7.400885854e-01 -7.400885854e-01 3.96 -7.113802193e-01 -7.113802193e-01 3.98 -6.835323604e-01 -6.835323604e-01 4.00 -6.565336098e-01 -6.565336098e-01 4.02 -6.303666550e-01 -6.303666550e-01 4.04 -6.050103954e-01 -6.050103954e-01 4.06 -5.804420820e-01 -5.804420820e-01 4.08 -5.566390808e-01 -5.566390808e-01 4.10 -5.335799864e-01 -5.335799864e-01 4.12 -5.112449669e-01 -5.112449669e-01 4.14 -4.896153727e-01 -4.896153727e-01 4.16 -4.686728093e-01 -4.686728093e-01 4.18 -4.483979454e-01 -4.483979454e-01 4.20 -4.287693826e-01 -4.287693826e-01 4.22 -4.097628763e-01 -4.097628763e-01 4.24 -3.913511161e-01 -3.913511161e-01 4.26 -3.735041550e-01 -3.735041550e-01 4.28 -3.561904525e-01 -3.561904525e-01 4.30 -3.393783922e-01 -3.393783922e-01 4.32 -3.230380596e-01 -3.230380596e-01 4.34 -3.071430329e-01 -3.071430329e-01 4.36 -2.916719427e-01 -2.916719427e-01 4.38 -2.766095898e-01 -2.766095898e-01 4.40 -2.619474644e-01 -2.619474644e-01 4.42 -2.476835879e-01 -2.476835879e-01 4.44 -2.338216810e-01 -2.338216810e-01 4.46 -2.203697534e-01 -2.203697534e-01 4.48 -2.073382917e-01 -2.073382917e-01 4.50 -1.947382824e-01 -1.947382824e-01 4.52 -1.825793368e-01 -1.825793368e-01 4.54 -1.708681666e-01 -1.708681666e-01 4.56 -1.596076050e-01 -1.596076050e-01 4.58 -1.487962838e-01 -1.487962838e-01 4.60 -1.384289494e-01 -1.384289494e-01 4.62 -1.284973535e-01 -1.284973535e-01 4.64 -1.189915320e-01 -1.189915320e-01 4.66 -1.099012573e-01 -1.099012573e-01 4.68 -1.012173960e-01 -1.012173960e-01 4.70 -9.293301580e-02 -9.293301580e-02 4.72 -8.504405447e-02 -8.504405447e-02 4.74 -7.754935663e-02 -7.754935663e-02 4.76 -7.045097640e-02 -7.045097640e-02 4.78 -6.375299926e-02 -6.375299926e-02 4.80 -5.746039348e-02 -5.746039348e-02 4.82 -5.157778980e-02 -5.157778980e-02 4.84 -4.610823585e-02 -4.610823585e-02 4.86 -4.105209400e-02 -4.105209400e-02 4.88 -3.640620330e-02 -3.640620330e-02 4.90 -3.216338388e-02 -3.216338388e-02 4.92 -2.831230594e-02 -2.831230594e-02 4.94 -2.483769739e-02 -2.483769739e-02 4.96 -2.172082405e-02 -2.172082405e-02 4.98 -1.894016345e-02 -1.894016345e-02 5.00 -1.647218129e-02 -1.647218129e-02 5.02 -1.429212783e-02 -1.429212783e-02 5.04 -1.237453844e-02 -1.237453844e-02 5.06 -1.069430931e-02 -1.069430931e-02 5.08 -9.227457740e-03 -9.227457740e-03 5.10 -7.951024364e-03 -7.951024364e-03 5.12 -6.843424957e-03 -6.843424957e-03 5.14 -5.884675875e-03 -5.884675875e-03 5.16 -5.056511868e-03 -5.056511868e-03 5.18 -4.342418981e-03 -4.342418981e-03 5.20 -3.727603806e-03 -3.727603806e-03 5.22 -3.198917747e-03 -3.198917747e-03 5.24 -2.744751813e-03 -2.744751813e-03 5.26 -2.354914279e-03 -2.354914279e-03 5.28 -2.020500615e-03 -2.020500615e-03 5.30 -1.733762586e-03 -1.733762586e-03 5.32 -1.487981296e-03 -1.487981296e-03 5.34 -1.277347321e-03 -1.277347321e-03 5.36 -1.096849803e-03 -1.096849803e-03 5.38 -9.421754094e-04 -9.421754094e-04 5.40 -8.096174415e-04 -8.096174415e-04 5.42 -6.959948608e-04 -6.959948608e-04 5.44 -5.985807500e-04 -5.985807500e-04 5.46 -5.150395214e-04 -5.150395214e-04 5.48 -4.433721046e-04 -4.433721046e-04 5.50 -3.818683173e-04 -3.818683173e-04 5.52 -3.290656314e-04 -3.290656314e-04 5.54 -2.837135873e-04 -2.837135873e-04 5.56 -2.447431604e-04 -2.447431604e-04 5.58 -2.112404464e-04 -2.112404464e-04 5.60 -1.824240966e-04 -1.824240966e-04 5.62 -1.576259939e-04 -1.576259939e-04 5.64 -1.362747251e-04 -1.362747251e-04 5.66 -1.178814554e-04 -1.178814554e-04 5.68 -1.020278649e-04 -1.020278649e-04 5.70 -8.835585187e-05 -8.835585187e-05 5.72 -7.655874610e-05 -7.655874610e-05 5.74 -6.637381375e-05 -6.637381375e-05 5.76 -5.757586366e-05 -5.757586366e-05 5.78 -4.997179395e-05 -4.997179395e-05 5.80 -4.339594009e-05 -4.339594009e-05 5.82 -3.770610628e-05 -3.770610628e-05 5.84 -3.278017895e-05 -3.278017895e-05 5.86 -2.851323641e-05 -2.851323641e-05 5.88 -2.481508108e-05 -2.481508108e-05 5.90 -2.160813198e-05 -2.160813198e-05 5.92 -1.882562409e-05 -1.882562409e-05 5.94 -1.641006932e-05 -1.641006932e-05 5.96 -1.431194057e-05 -1.431194057e-05 5.98 -1.248854594e-05 -1.248854594e-05 6.00 -1.090306532e-05 -1.090306532e-05